SCHEMBL5442174

SCHEMBL5442174

NCC(=O)N1CC=C(c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n2nccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
KCNK3 O14649 2/20 0.45
PDGFRB P09619 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 1/20 0.45
BRAF P15056 13/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNK9 Q9NPC2 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5437554 0.94 PTGS1 (0.46) PTGS1KCNK3PDGFRBKDRMAPT
SCHEMBL5440393 0.90 KCNK3 (0.51) PTGS1KCNK3PDGFRBKDRMAPT
SCHEMBL5448822 0.90 KCNK3 (0.46) PTGS1KCNK3PDGFRBKDRMAPT
SCHEMBL5438536 0.89 MEN1 (0.48) PTGS1KCNK3PDGFRBKDRMAPT
SCHEMBL5438554 0.89 BRAF (0.43) PTGS1KCNK3MAPTBRAFLMNA
SCHEMBL5447269 0.88 KCNK3 (0.44) PTGS1KCNK3PDGFRBKDRMAPT
SCHEMBL5439090 0.87 BRAF (0.44) KCNK3MAPTBRAFMEN1HTT
SCHEMBL5436375 0.87 BRAF (0.50) PTGS1KCNK3MAPTBRAFLMNA
SCHEMBL5435141 0.87 BRAF (0.46) KCNK3MAPTBRAFLMNAMEN1
SCHEMBL5438545 0.87 BRAF (0.53) KCNK3MAPTBRAFLMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US claimed
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, DUT, TYMP PTGS1 1168/4885KCNK3 3374/4885PDGFRB 775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.